(methanesulfonylsulfanyl)sodium

• ChemBase ID: 140909
• Molecular Formular: CH3NaO2S2
• Molecular Mass: 134.15309
• Monoisotopic Mass: 133.94721562
• SMILES: CS(=O)(=O)S[Na]
• Canonical SMILES: [Na]SS(=O)(=O)C
• InChI: InChI=1S/CH4O2S2.Na/c1-5(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
• InChIKey: JFTZUZWJGUCSTE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (methanesulfonylsulfanyl)sodium
• IUPAC Traditional name: (methanesulfonylsulfanyl)sodium
• Synonyms: Methanesulfonothioic acid sodium salt; Sodium methylthiosulfonate; Sodium methanethiosulfonate; 甲基硫代磺酸钠; 硫甲磺酸钠

Database IDs

• CAS Number: 1950-85-2
• EC Number: 217-770-0
• MDL Number: MFCD03425630
• PubChem SID: 162235147
• PubChem CID: 4188587

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5558
• LogD (pH = 7.4): -1.5558
• Log P: -1.5558
• Molar Refractivity: 19.7227 cm^3
• Polarizability: 11.609479 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 265 °C (dec.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): CH3O2S2Na

DETAILS

Sigma Aldrich - 684538

Packaging
1 g in glass bottle